4,4,5,5,5-pentafluoro-2-iodopent-1-ene

• ChemBase ID: 98562
• Molecular Formular: C5H4F5I
• Molecular Mass: 285.981746
• Monoisotopic Mass: 285.92778923
• SMILES: IC(=C)CC(C(F)(F)F)(F)F
• Canonical SMILES: IC(=C)CC(C(F)(F)F)(F)F
• InChI: InChI=1S/C5H4F5I/c1-3(11)2-4(6,7)5(8,9)10/h1-2H2
• InChIKey: UEEGHKHOKNMXKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,5-pentafluoro-2-iodopent-1-ene
• IUPAC Traditional name: 4,4,5,5,5-pentafluoro-2-iodopent-1-ene
• Synonyms: 4,4,5,5,5-Pentafluoro-2-iodopent-1-ene; 1H,1H,2H,3H,3H-Perfluoro(2-iodopent-1-ene)

Database IDs

• PubChem SID: 162105169
• PubChem CID: 45075661

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3904798
• LogD (pH = 7.4): 3.3904798
• Log P: 3.3904798
• Molar Refractivity: 38.9755 cm^3
• Polarizability: 14.776275 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant